1-[(E)-but-2-en-2-yl]-4-methylnaphthalene

C15H16 — CID 144623185

IUPAC1-[(E)-but-2-en-2-yl]-4-methylnaphthalene
SMILESC/C=C(\C)c1ccc(C)c2ccccc12
InChIInChI=1S/C15H16/c1-4-11(2)14-10-9-12(3)13-7-5-6-8-15(13)14/h4-10H,1-3H3/b11-4+
InChIKeyDGOZXRBLJFXSHP-NYYWCZLTSA-N
MW196.29 g/mol
LogP4.57
Rot. Bonds1

About 1-[(E)-but-2-en-2-yl]-4-methylnaphthalene

1-[(E)-but-2-en-2-yl]-4-methylnaphthalene (PubChem CID 144623185) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]-4-methylnaphthalene.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]-4-methylnaphthalene
PubChem CID144623185
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name1-[(E)-but-2-en-2-yl]-4-methylnaphthalene
SMILESC/C=C(\C)c1ccc(C)c2ccccc12
InChIInChI=1S/C15H16/c1-4-11(2)14-10-9-12(3)13-7-5-6-8-15(13)14/h4-10H,1-3H3/b11-4+
InChIKeyDGOZXRBLJFXSHP-NYYWCZLTSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-(3-methylbut-2-en-2-yl)naphthalene
CID 58760824
4-[(E)-but-2-en-2-yl]-5-fluoro-1-methylnaphthalene
CID 144566746
1-[(E)-but-2-en-2-yl]-2-methylbenzene
CID 12835573
4-methylnaphthalene-1-carboxylate;thallium(1+)
CID 22604806
1-[diazo-(4-methylnaphthalen-1-yl)methyl]-4-methylnaphthalene
CID 101204700
N,4-dimethylnaphthalene-1-carboxamide
CID 90054861
(4-methylnaphthalen-1-yl)-(4-methylthiophen-3-yl)methanone
CID 79803418
CID 18534456
CID 18534456
1-methyl-4-[(E)-1-[2-(naphthalen-1-ylmethyl)phenyl]prop-1-enyl]naphthalene
CID 140626136
9,10-dimethylanthracene;1,4-dimethylnaphthalene;methane
CID 160811650
1-(5-methylnaphthalen-1-yl)ethanone
CID 15563480
1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;ethane;methane
CID 153374164

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-en-2-yl]-4-methylnaphthalene?
The IUPAC name of 1-[(E)-but-2-en-2-yl]-4-methylnaphthalene (CID 144623185) is 1-[(E)-but-2-en-2-yl]-4-methylnaphthalene.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]-4-methylnaphthalene?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]-4-methylnaphthalene is C/C=C(\C)c1ccc(C)c2ccccc12.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]-4-methylnaphthalene?
The InChIKey is DGOZXRBLJFXSHP-NYYWCZLTSA-N. The full InChI is InChI=1S/C15H16/c1-4-11(2)14-10-9-12(3)13-7-5-6-8-15(13)14/h4-10H,1-3H3/b11-4+.
What are the key properties of 1-[(E)-but-2-en-2-yl]-4-methylnaphthalene?
1-[(E)-but-2-en-2-yl]-4-methylnaphthalene has a molecular weight of 196.29 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-en-2-yl]-4-methylnaphthalene is sourced from PubChem (CID 144623185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).